KEGG   DRUG: D06556Help
Entry
D06556                      Drug                                   

Name
Apilimod mesylate (USAN)
Formula
C23H26N6O2. (CH4SO3)2
Exact mass
610.188
Mol weight
610.7029
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of inflammatory diseases [inhibits production of IL-12]
Target
interleukin 12 inhibitor [HSA:3592 3593] [KO:K05406 K05425];
interleukin 23 inhibitor [HSA:51561] [KO:K05426]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04630  Jak-STAT signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines
  Class I cytokines
   IL-12
    Apilimod
     D06556  Apilimod mesylate (USAN)
   IL-23
    Apilimod
     D06556  Apilimod mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
870087-36-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        41
            1   C8x C     6.1600  -14.1400
            2   C8x C     6.1600  -15.5400
            3   C8x C     7.3724  -16.2400
            4   C8x C     8.5849  -15.5400
            5   C8y C     8.5849  -14.1400
            6   N5x N     7.3724  -13.4400
            7   C1b C     9.8160  -13.4290
            8   C1b C    11.0212  -14.1247
            9   O2a O    12.2035  -13.4419
            10  C8y C    13.3975  -14.1312
            11  N4x N    13.3976  -15.5397
            12  C8y C    14.6101  -16.2396
            13  C8x C    15.8225  -15.5395
            14  C8y C    15.8223  -14.1309
            15  N5x N    14.6098  -13.4311
            16  N2b N    17.0290  -13.4341
            17  N1y N    14.6103  -17.6399
            18  C1x C    13.4127  -18.3316
            19  C1x C    13.4130  -19.7316
            20  O2x O    14.6256  -20.4313
            21  C1x C    15.8231  -19.7396
            22  C1x C    15.8229  -18.3396
            23  N2b N    18.2297  -14.1273
            24  C2b C    19.4143  -13.4433
            25  C8y C    20.6070  -14.1320
            26  C8x C    20.6071  -15.5397
            27  C8x C    21.8196  -16.2397
            28  C8x C    23.0320  -15.5396
            29  C8y C    23.0319  -14.1319
            30  C8x C    21.8194  -13.4319
            31  C1a C    24.2393  -13.4347
            32  O1d O    27.7423  -15.7669
            33  S4a S    27.7423  -17.1670
            34  C1a C    26.3423  -17.1670
            35  O1d O    29.1423  -17.1670
            36  O1d O    27.7423  -18.5669
            37  O1d O    27.7423  -15.7669
            38  S4a S    27.7423  -17.1670
            39  C1a C    26.3423  -17.1670
            40  O1d O    29.1423  -17.1670
            41  O1d O    27.7423  -18.5669
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   10  15 2
            17   14  16 2
            18   12  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   16  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   29  31 1
            35   32  33 2
            36   33  34 1
            37   33  35 1
            38   33  36 2
            39   37  38 2
            40   38  39 1
            41   38  40 1
            42   38  41 2
BRACKET     1    24.6400  -19.1100   24.6400  -15.2600
            1    30.4500  -15.2600   30.4500  -19.1100
            1  2
 ORIGINAL  1   32  33  34  35  36
 REPEAT    1   37  38  39  40  41

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